SCHEMBL9384457

SCHEMBL9384457

COc1ccc(C2CC2C(C)N(O)C(N)=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.61
KDM1A O60341 2/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
HTR2C P28335 1/20 0.41
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 3/20 0.40
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9384460 1.00 ALOX5 (0.61) ALOX5KDM1AMAOAMAOBHTR2C
SCHEMBL9380206 0.89 ALOX5 (0.60) ALOX5SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL9380200 0.89 ALOX5 (0.60) ALOX5SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL9385399 0.88 ALOX5 (0.46) ALOX5KDM1AMAOAMAOBHTR2C
SCHEMBL9385395 0.88 ALOX5 (0.46) ALOX5KDM1AMAOAMAOBHTR2C
SCHEMBL9380387 0.86 ALOX5 (0.80) ALOX5KDM1AMAPT
SCHEMBL9380392 0.86 ALOX5 (0.80) ALOX5KDM1AMAPT
SCHEMBL9380156 0.85 ALOX5 (0.65) ALOX5HTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL9380154 0.85 ALOX5 (0.65) ALOX5HTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL9380906 0.83 ALOX5 (0.64) ALOX5KDM1AMAOAMAOBHTR2C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0436199-B1 Cyclopropyl derivative lipoxygenase inhibitors ABBOTT LAB (US) 1994-08-03 EP claimed
EP-0436199-A1 Cyclopropyl derivative lipoxygenase inhibitors ABBOTT LABORATORIES (US) 1991-07-10 EP claimed
EP-0436199-B1 Cyclopropyl derivative lipoxygenase inhibitors ABBOTT LAB (US) 1994-08-03 EP disclosed
US-5120752-A N-(1-(20(3-pyridyloxy)phenyl)cyclopropyl) alkyl-N-hydroxyurea compounds, antiinflammatory agents ABBOTT LABORATORIES (US) 1992-06-09 US disclosed
US-5037853-A Antiinflammatory agents ABBOTT LABORATORIES (US) 1991-08-06 US disclosed
EP-0436199-A1 Cyclopropyl derivative lipoxygenase inhibitors ABBOTT LABORATORIES (US) 1991-07-10 EP disclosed